methyl 4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanoate

C11H21F3N2O2 — CID 55142772

IUPACmethyl 4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanoate
SMILESCCCNC(CCN(C)CC(F)(F)F)C(=O)OC
InChIInChI=1S/C11H21F3N2O2/c1-4-6-15-9(10(17)18-3)5-7-16(2)8-11(12,13)14/h9,15H,4-8H2,1-3H3
InChIKeyLYTHMKFBEDMRMU-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.41
Rot. Bonds8

About methyl 4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanoate

methyl 4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanoate (PubChem CID 55142772) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is methyl 4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanoate
PubChem CID55142772
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Namemethyl 4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanoate
SMILESCCCNC(CCN(C)CC(F)(F)F)C(=O)OC
InChIInChI=1S/C11H21F3N2O2/c1-4-6-15-9(10(17)18-3)5-7-16(2)8-11(12,13)14/h9,15H,4-8H2,1-3H3
InChIKeyLYTHMKFBEDMRMU-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanoate?
The IUPAC name of methyl 4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanoate (CID 55142772) is methyl 4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanoate.
What is the SMILES notation for methyl 4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanoate?
The canonical SMILES for methyl 4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanoate is CCCNC(CCN(C)CC(F)(F)F)C(=O)OC.
What is the InChIKey of methyl 4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanoate?
The InChIKey is LYTHMKFBEDMRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-4-6-15-9(10(17)18-3)5-7-16(2)8-11(12,13)14/h9,15H,4-8H2,1-3H3.
What are the key properties of methyl 4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanoate?
methyl 4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanoate has a molecular weight of 270.29 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanoate is sourced from PubChem (CID 55142772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).